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CHEBI:78332 - Src Inhibitor-1

ChEBI IDCHEBI:78332
ChEBI NameSrc Inhibitor-1
Stars
DefinitionA member of the class of quinazolines that is quinazoline which is substituted at position 4 by a p-phenoxyanilino group and at positions 6 and 7 by methoxy groups. It is a potent, competitive dual site (both the ATP- and peptide-binding) Src kinase inhibitor. Src Inhibitor-1 is one of the 'gold standards' for Src kinase inhibition that has been shown to use PP1 or PP2 in parallel with Src-I1 to inhbit Src family kinases.
Last Modified25 February 2016
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC22H19N3O3
Net Charge0
Average Mass373.412
Monoisotopic Mass373.14264
SMILESCOc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25)
InChIKeyDMWVGXGXHPOEPT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2).
ChEBI Ontology
Outgoing Relation(s)
Src Inhibitor-1 (CHEBI:78332) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
Src Inhibitor-1 (CHEBI:78332) is a aromatic ether (CHEBI:35618)
Src Inhibitor-1 (CHEBI:78332) is a polyether (CHEBI:46774)
Src Inhibitor-1 (CHEBI:78332) is a quinazolines (CHEBI:38530)
Src Inhibitor-1 (CHEBI:78332) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine
Synonyms  Source
4-(4'-phenoxyanilino)-6,7-dimethoxyquinazolineChEBI
(4'-oxyphenyl-phenylamino)-6,7-dimethoxyquinazolineChEBI
6,7-dimethoxy-N-(4-phenoxyphenyl)-4-quinazolinamineChEBI
SKI-1ChEBI
Src kinase inhibitor IChEBI
Src-l1ChEBI
Manual XrefsDatabases
LSM-3112LINCS
Registry NumbersSources
Reaxys:8790191Reaxys
Citations